6-[[4-(Dimethylamino)phenyl]-pyrrolidin-1-ylmethyl]-1,3-benzodioxol-5-ol

C20H24N2O3 — CID 340207

IUPAC6-[[4-(dimethylamino)phenyl]-pyrrolidin-1-ylmethyl]-1,3-benzodioxol-5-ol
SMILESCN(C)C1=CC=C(C=C1)C(C2=CC3=C(C=C2O)OCO3)N4CCCC4
InChIInChI=1S/C20H24N2O3/c1-21(2)15-7-5-14(6-8-15)20(22-9-3-4-10-22)16-11-18-19(12-17(16)23)25-13-24-18/h5-8,11-12,20,23H,3-4,9-10,13H2,1-2H3
InChIKeyJKZKDGNTBFQFRY-UHFFFAOYSA-N
MW340.40 g/mol
LogP3.50
Rot. Bonds4

About 6-[[4-(Dimethylamino)phenyl]-pyrrolidin-1-ylmethyl]-1,3-benzodioxol-5-ol

6-[[4-(Dimethylamino)phenyl]-pyrrolidin-1-ylmethyl]-1,3-benzodioxol-5-ol (PubChem CID 340207) has the molecular formula C20H24N2O3 and a molecular weight of 340.40 g/mol. Its IUPAC name is 6-[[4-(dimethylamino)phenyl]-pyrrolidin-1-ylmethyl]-1,3-benzodioxol-5-ol.

Molecular Properties

Compound Name6-[[4-(Dimethylamino)phenyl]-pyrrolidin-1-ylmethyl]-1,3-benzodioxol-5-ol
PubChem CID340207
Molecular FormulaC20H24N2O3
Molecular Weight340.40 g/mol
Exact Mass340.18
IUPAC Name6-[[4-(dimethylamino)phenyl]-pyrrolidin-1-ylmethyl]-1,3-benzodioxol-5-ol
SMILESCN(C)C1=CC=C(C=C1)C(C2=CC3=C(C=C2O)OCO3)N4CCCC4
InChIInChI=1S/C20H24N2O3/c1-21(2)15-7-5-14(6-8-15)20(22-9-3-4-10-22)16-11-18-19(12-17(16)23)25-13-24-18/h5-8,11-12,20,23H,3-4,9-10,13H2,1-2H3
InChIKeyJKZKDGNTBFQFRY-UHFFFAOYSA-N
XLogP3.50
TPSA45.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity433

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

Analyze 6-[[4-(Dimethylamino)phenyl]-pyrrolidin-1-ylmethyl]-1,3-benzodioxol-5-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[(3,4-dimethoxyphenyl)(morpholin-4-yl)methyl]-2H-1,3-benzodioxol-5-ol
CID 339886
6-[[4-(2-Methoxyphenyl)piperazin-1-yl]methyl]-1,3-benzodioxol-5-ol
CID 2465409
6-[[4-(4-Fluorophenyl)piperazin-1-yl]methyl]-1,3-benzodioxol-5-ol
CID 2466853
1,3-Benzodioxol-5-ol, 6-[(4-methoxyphenyl)-4-morpholinylmethyl]-
CID 339216
6-[1,3-Benzodioxol-5-yl(morpholin-4-yl)methyl]-1,3-benzodioxol-5-ol
CID 339882
6-[1,3-Benzodioxol-5-yl(piperidin-1-yl)methyl]-1,3-benzodioxol-5-ol
CID 339888
6-[(3,4-Dimethoxyphenyl)-piperidin-1-ylmethyl]-1,3-benzodioxol-5-ol
CID 339901
6-[(4-Methoxyphenyl)-piperidin-1-ylmethyl]-1,3-benzodioxol-5-ol
CID 339908
6-[(2,4-Dimethoxyphenyl)-pyrrolidin-1-ylmethyl]-1,3-benzodioxol-5-ol
CID 340203
6-[1,3-Benzodioxol-5-yl(pyrrolidin-1-yl)methyl]-1,3-benzodioxol-5-ol
CID 340206
6-(1-Pyrrolidinyl(3,4,5-trimethoxyphenyl)methyl)-1,3-benzodioxol-5-ol
CID 340208
6-[(2-Methoxyphenyl)-morpholin-4-ylmethyl]-1,3-benzodioxol-5-ol
CID 343011

Frequently Asked Questions

What is the IUPAC name of 6-[[4-(Dimethylamino)phenyl]-pyrrolidin-1-ylmethyl]-1,3-benzodioxol-5-ol?
The IUPAC name of 6-[[4-(Dimethylamino)phenyl]-pyrrolidin-1-ylmethyl]-1,3-benzodioxol-5-ol (CID 340207) is 6-[[4-(dimethylamino)phenyl]-pyrrolidin-1-ylmethyl]-1,3-benzodioxol-5-ol.
What is the SMILES notation for 6-[[4-(Dimethylamino)phenyl]-pyrrolidin-1-ylmethyl]-1,3-benzodioxol-5-ol?
The canonical SMILES for 6-[[4-(Dimethylamino)phenyl]-pyrrolidin-1-ylmethyl]-1,3-benzodioxol-5-ol is CN(C)C1=CC=C(C=C1)C(C2=CC3=C(C=C2O)OCO3)N4CCCC4.
What is the InChIKey of 6-[[4-(Dimethylamino)phenyl]-pyrrolidin-1-ylmethyl]-1,3-benzodioxol-5-ol?
The InChIKey is JKZKDGNTBFQFRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-21(2)15-7-5-14(6-8-15)20(22-9-3-4-10-22)16-11-18-19(12-17(16)23)25-13-24-18/h5-8,11-12,20,23H,3-4,9-10,13H2,1-2H3.
What are the key properties of 6-[[4-(Dimethylamino)phenyl]-pyrrolidin-1-ylmethyl]-1,3-benzodioxol-5-ol?
6-[[4-(Dimethylamino)phenyl]-pyrrolidin-1-ylmethyl]-1,3-benzodioxol-5-ol has a molecular weight of 340.40 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(Dimethylamino)phenyl]-pyrrolidin-1-ylmethyl]-1,3-benzodioxol-5-ol is sourced from PubChem (CID 340207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).